smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c1O	ZINC000886680978	1303557592	/nfs/dbraw/zinc/55/75/92/1303557592.db2.gz	PQWJCMILSAAKTB-ZDUSSCGKSA-N	-1	2	345.830	3.418	10	10		EGCELM
Cc1cc(Br)c([O-])c(C[NH2+][C@@H](c2ncccn2)C2CC2)c1	ZINC000922578064	1322562035	/nfs/dbraw/zinc/56/20/35/1322562035.db2.gz	HGMPGYAISWTOSQ-CQSZACIVSA-N	-1	2	348.244	3.494	10	10		EGCELM
CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)cc(C)c2O)C1	ZINC000190143205	455282615	/nfs/dbraw/zinc/28/26/15/455282615.db2.gz	ABCWEJTWYVZERN-UONOGXRCSA-N	-1	2	337.807	3.007	10	10		EGCELM
CC[NH+](CC)Cc1nc(C2(NCc3ccccc3O)CCCC2)no1	ZINC000124067272	454697169	/nfs/dbraw/zinc/69/71/69/454697169.db2.gz	FJYZUGUECOYJDN-UHFFFAOYSA-N	-1	2	344.459	3.176	10	10		EGCELM
Cc1cc(Br)c([O-])c(C[NH2+][C@H](c2ncccn2)C2CC2)c1	ZINC000922578061	1322562472	/nfs/dbraw/zinc/56/24/72/1322562472.db2.gz	HGMPGYAISWTOSQ-AWEZNQCLSA-N	-1	2	348.244	3.494	10	10		EGCELM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1O	ZINC000100064223	219089970	/nfs/dbraw/zinc/08/99/70/219089970.db2.gz	ULPPOWQPJBUQOF-HEWTWTGNSA-N	-1	2	339.311	3.175	10	10		EGCELM
CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1O	ZINC000886680977	1303557367	/nfs/dbraw/zinc/55/73/67/1303557367.db2.gz	PQWJCMILSAAKTB-CYBMUJFWSA-N	-1	2	345.830	3.418	10	10		EGCELM
CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)cc(C)c2O)C1	ZINC000190143186	455282988	/nfs/dbraw/zinc/28/29/88/455282988.db2.gz	ABCWEJTWYVZERN-ZIAGYGMSSA-N	-1	2	337.807	3.007	10	10		EGCELM
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1O	ZINC000175620374	455472064	/nfs/dbraw/zinc/47/20/64/455472064.db2.gz	HILPMSCWSUCITP-AWEZNQCLSA-N	-1	2	343.402	3.063	10	10		EGCELM
CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O	ZINC000157544621	455205925	/nfs/dbraw/zinc/20/59/25/455205925.db2.gz	KSEVJXONZZSASU-OAHLLOKOSA-N	-1	2	335.400	3.369	10	10		EGCELM
Oc1c(F)cc(F)cc1C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1	ZINC000895454035	1309345686	/nfs/dbraw/zinc/34/56/86/1309345686.db2.gz	HMUQRPOHYZCOQH-OAHLLOKOSA-N	-1	2	331.366	3.050	10	10		EGCELM
Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1-n1cc[nH+]c1	ZINC000190750589	455377804	/nfs/dbraw/zinc/37/78/04/455377804.db2.gz	FYSWOUCTBDYGGA-UHFFFAOYSA-N	-1	2	332.766	3.055	10	10		EGCELM
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(Cl)c1	ZINC000033292941	304680074	/nfs/dbraw/zinc/68/00/74/304680074.db2.gz	HZKYZJVWCQCBIB-WDZFZDKYSA-N	-1	2	349.173	3.160	10	10		EGCELM
CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1O	ZINC000175620352	455472505	/nfs/dbraw/zinc/47/25/05/455472505.db2.gz	HILPMSCWSUCITP-CQSZACIVSA-N	-1	2	343.402	3.063	10	10		EGCELM
CC1=NN(c2ccc(F)cc2)C(=O)C1C=Nc1ccccc1C(=O)[O-]	ZINC000100148573	219092345	/nfs/dbraw/zinc/09/23/45/219092345.db2.gz	FKRRHOOTCPNQDI-XNTDXEJSSA-N	-1	2	339.326	3.242	10	10		EGCELM
COc1c(O)c(CNc2ccc3c(c2)CCC[N@H+]3C)ccc1[N+](=O)[O-]	ZINC000278463869	455836418	/nfs/dbraw/zinc/83/64/18/455836418.db2.gz	FRPIKHLWQOKAML-UHFFFAOYSA-N	-1	2	343.383	3.304	10	10		EGCELM
COc1ccc(-c2nc(C[N@@H+](C)Cc3ccccc3O)no2)cc1	ZINC000111235670	454859543	/nfs/dbraw/zinc/85/95/43/454859543.db2.gz	KZROHSHRHAYGSW-UHFFFAOYSA-N	-1	2	325.368	3.083	10	10		EGCELM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cccc(F)c1O	ZINC001141738177	1378368870	/nfs/dbraw/zinc/36/88/70/1378368870.db2.gz	YNCUQURGNFCWAG-UHFFFAOYSA-N	-1	2	330.142	3.474	10	10		EGCELM
CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O	ZINC000157544480	455206238	/nfs/dbraw/zinc/20/62/38/455206238.db2.gz	KSEVJXONZZSASU-HNNXBMFYSA-N	-1	2	335.400	3.369	10	10		EGCELM